Calculated paramagnetic resonance parameters of the luminescent Re6S8Cl63- cluster ion

Luis Alvarez-Thon, Lucía Hernández-Acevedo, Ramiro Arratia-Pérez

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

22 Citas (Scopus)

Resumen

A report of Dirac molecular orbital calculations performed on the octahedral paramagnetic Re6S8Cl63- cluster ion was presented. The manifold of closely spaced unoccupied energy levels were found to be localized on the octahedral core and the cluster highest molecular orbital is largely centered on the terminal chloride ligand. The electronic features of the excited states were found to be similar to the intensely luminescent Re6S8Cl64- cluster ions. An isotropic Zeeman tensor predicted in the calculations was in good agreement with the single crystal solid state cluster electron paramagnetic resonance (EPR) experiments.

Idioma originalInglés
Páginas (desde-hasta)726-730
Número de páginas5
PublicaciónJournal of Chemical Physics
Volumen115
N.º2
DOI
EstadoPublicada - 8 jul 2001

Áreas temáticas de ASJC Scopus

  • Física y astronomía (todo)
  • Química física y teórica

Huella

Profundice en los temas de investigación de 'Calculated paramagnetic resonance parameters of the luminescent Re<sub>6</sub>S<sub>8</sub>Cl<sub>6</sub><sup>3-</sup> cluster ion'. En conjunto forman una huella única.

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